![2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide structure](/static/products/906/906147-93-1.png)
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
TL;DR: 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide (CAS 906147-93-1) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide
Also Known As: 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide, G856-9451, F2621-0652, 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide, 2-((2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)-N-(3-nitrophenyl)acetamide
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.9637 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 1125.1699 |
Chemical Identifiers
| CAS Number | 906147-93-1 |
|---|---|
| SMILES | CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide (CAS 906147-93-1), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
Property Insights of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
The XLogP value of 2.9637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide. The TPSA of 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide?
The CAS number of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide is 906147-93-1.
What is the molecular formula of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide is C21H21N3O6.
What is the molecular weight of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide is 411.14 g/mol.
Where can I buy 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.